* LIGAND DATABASE FILE (OPLS2005)
*
001      64    63    111    151     317
    1     0 S   NP   _N1_     1    28.88274    95.70443   -21.36841
    2     1 S   H    _HN1     2     1.02949    80.51155    24.48127
    3     1 S   H    _H1_     3     1.02835    38.62313   157.87451
    4     1 S   H    _H2_     4     1.02786    90.88749   -83.95571
    5     1 S   CT   _CA1     5     1.50077   148.19403   138.19372
    6     5 S   HC   _HA1     6     1.09579   105.24038    72.26101
    7     5 S   CO3  _C1_     7     1.53788   112.38080   -47.96718
    8     7 S   O2Z  _O11     8     1.26358   115.01143   -46.19963
    9     7 S   O2Z  _O12     9     1.26242   114.84553   133.01757
   10     5 S   CT   _CB1    10     1.53070   107.44831  -169.86946
   11    10 S   HC   HB11    11     1.09822   109.38579   -51.29793
   12    10 S   HC   HB12    12     1.09816   110.44746    65.31086
   13    10 S   CT   _CG1    13     1.52945   112.52738  -172.37285
   14    13 S   HC   HG11    14     1.09571   110.33477   -63.95723
   15    13 S   HC   HG12    15     1.09654   109.99711    55.24092
   16    13 S   C    _CD1    16     1.51769   112.36805   175.82317
   17    16 S   O    _OE1    17     1.22721   123.30627     0.91300
   18    16 S   N    _N2_    18     1.38594   111.55044  -179.14591
   19    18 S   H    _HN2    19     1.01557   119.05001     2.28070
   20    18 S   CT1  _CA2    20     1.46258   123.54595  -179.41349
   21    20 S   HC   _HA2    21     1.09727   109.37890    -1.19763
   22    20 S   C    _C2_    22     1.53472   108.78670  -116.87135
   23    22 S   O    _O2_    23     1.23056   122.31237  -150.25315
   24    20 S   CT   _CB2    32     1.53397   111.13381   120.73574
   25    24 S   HC   HB21    33     1.09437   109.32530    57.23769
   26    24 S   HC   HB22    34     1.09503   110.40732   175.83219
   27    22 S   N    _N3_    24     1.38347   113.68522    37.27833
   28    27 S   H    _HN3    25     1.01605   119.47635    -3.44714
   29    24 S   S    _SG2    35     1.83169   110.86219   -64.76136
   30    27 S   CT   _CA3    26     1.45270   123.18398   177.11751
   31    30 S   HC   HA31    27     1.09549   107.51642   -64.69593
   32    30 S   HC   HA32    28     1.09559   107.97307    51.72881
   33    29 S   CT   _C10    36     1.84230   101.46144   160.08021
   34    33 S   OM   _O34    37     1.31206   109.00363   170.82840
   35    30 S   CO3  _C3_    29     1.52939   114.11439   173.76275
   36    35 S   O2Z  _O31    30     1.26369   116.07807     0.58182
   37    35 S   O2Z  _O32    31     1.26430   114.40561  -179.37255
   38    33 S   NT   _N6_    38     1.45903   109.70819    53.22673
   39    38 S   H    _H16    39     1.01824   107.32623   175.89191
   40    38 S   H    _H17    40     1.01824   107.34837    62.63768
   41    33 S   S    _S2_    41     1.85205   112.44099   -67.30414
   42    41 S   CT   _C9_    42     1.83955   102.34702   -53.54300
   43    42 S   HC   _H14    43     1.09368   109.22414    68.72424
   44    42 S   HC   _H15    44     1.09290   107.63787   -48.18197
   45    42 S   CT   _C6_    45     1.55507   112.17609  -168.76716
   46    45 S   HC   _H3_    46     1.10007   106.07935    60.37361
   47    45 S   CT   _C7_    47     1.55081   111.22782   177.22646
   48    47 S   HC   _H10    48     1.09473   110.46792    54.76488
   49    47 S   HC   _H11    49     1.09398   110.22458   174.17839
   50    45 S   NT   _N4_    56     1.48665   111.18495   -55.75991
   51    47 S   S    _S1_    50     1.82522   113.00994   -66.11248
   52    50 S   CT   _C4_    57     1.46099   114.85337   -73.73142
   53    52 S   HC   _H4_    58     1.09324   111.56837    54.72865
   54    52 S   HC   _H5_    59     1.09510   112.67040   -67.71386
   55    52 S   HC   _H6_    60     1.09618   110.10664   172.09925
   56    50 S   CT   _C5_    61     1.46221   112.44835   158.72473
   57    56 S   HC   _H7_    62     1.09558   110.86189   -54.12557
   58    56 S   HC   _H8_    63     1.09603   110.31866  -171.55766
   59    56 S   HC   _H9_    64     1.09477   112.76417    67.69888
   60    51 S   CO4  _C8_    51     1.75377    99.83560  -178.42430
   61    60 S   O    _O33    52     1.22329   123.83698    28.61538
   62    60 S   N    _N5_    53     1.36758   110.77396  -152.37458
   63    62 S   H    _H12    54     1.01320   120.86882   179.60534
   64    62 S   H    _H13    55     1.01329   121.18782     1.00580
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
   9   5   2   1   1   4   2   1   7  11   5   4  15   7   9   4
   3   9   5   7   3   2   1   3   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45  
   38    39    40    41    42  
   36    37  
   37  
    0  
   39    40    41    42  
   40    41  
   41  
   42    43    44    45    46    47    50  
   43    44    45    46    47    48    49    51    50    52    56  
   44    45    46    47    50  
   45    46    47    50  
   46    47    48    49    51    60    50    52    53    54    55    56    57    58    59  
   47    48    49    51    50    52    56  
   48    49    51    60    61    62    50    52    56  
   49    51    60    50  
   51    60    50  
   52    53    54    55    56    57    58    59    51  
   60    61    62    63    64  
   53    54    55    56    57    58    59  
   54    55    56  
   55    56  
   56  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    64  
   62    63    64  
   63    64  
   64  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.3000   0.1700  -0.842500   1.8650   1.6500   0.051222218  -2.220205820
   39   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   40   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   51   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   52   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.671900   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   62   3.2500   0.1700  -0.882500   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   64   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   382.000  1.448
   33    41   222.000  1.810
   38    39   434.000  1.010
   38    40   434.000  1.010
   41    42   222.000  1.810
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    50   382.000  1.448
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   222.000  1.810
   51    60   210.000  1.799
   60    61   570.000  1.229
   60    62   435.000  1.380
   62    63   434.000  1.010
   62    64   434.000  1.010
   50    52   382.000  1.448
   50    56   382.000  1.448
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    85.00000  109.00000
   29    33    41    75.00000  118.28000
   33    38    39    35.00000  109.50000
   33    38    40    35.00000  109.50000
   33    41    42    62.00000   98.90000
   38    33    34   110.00000  105.70000
   40    38    39    43.60000  106.40000
   41    33    34    85.00000  114.68000
   41    33    38    85.00000  109.00000
   41    42    43    35.00000  109.50000
   41    42    44    35.00000  109.50000
   41    42    45    75.00000  111.63000
   42    45    46    37.50000  110.70000
   42    45    47    58.35000  112.70000
   42    45    50    56.20000  109.47000
   44    42    43    33.00000  107.80000
   45    42    43    37.50000  110.70000
   45    42    44    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    51    75.00000  111.63000
   45    50    52    51.80000  107.20000
   45    50    56    51.80000  107.20000
   47    45    46    37.50000  110.70000
   47    51    60    90.00000   96.72000
   49    47    48    33.00000  107.80000
   51    47    48    35.00000  109.50000
   51    47    49    35.00000  109.50000
   51    60    61    80.00000  121.30200
   51    60    62    80.00000  112.20600
   60    62    63    50.00000  116.34900
   60    62    64    50.00000  116.34900
   62    60    61    85.00000  125.96000
   64    62    63    35.00000  120.00000
   50    45    46    35.00000  109.50000
   50    45    47    56.20000  109.47000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    35.00000  109.50000
   50    56    57    35.00000  109.50000
   50    56    58    35.00000  109.50000
   50    56    59    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    50    52    51.80000  107.20000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.08500  1.0 1.0
   24    29    33    41  -0.53150 -1.0 2.0
   24    29    33    41   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39  -0.05900  1.0 1.0
   29    33    38    39   0.08350 -1.0 2.0
   29    33    38    39   0.12500  1.0 3.0
   29    33    38    40  -0.05900  1.0 1.0
   29    33    38    40   0.08350 -1.0 2.0
   29    33    38    40   0.12500  1.0 3.0
   29    33    41    42   0.08500  1.0 1.0
   29    33    41    42  -0.53150 -1.0 2.0
   29    33    41    42   0.48050  1.0 3.0
   33    41    42    43   0.32350  1.0 3.0
   33    41    42    44   0.32350  1.0 3.0
   33    41    42    45   0.01700  1.0 1.0
   33    41    42    45  -0.23550 -1.0 2.0
   33    41    42    45   0.21350  1.0 3.0
   34    33    38    39  -0.05900  1.0 1.0
   34    33    38    39   0.08350 -1.0 2.0
   34    33    38    39   0.12500  1.0 3.0
   34    33    38    40  -0.05900  1.0 1.0
   34    33    38    40   0.08350 -1.0 2.0
   34    33    38    40   0.12500  1.0 3.0
   34    33    41    42   0.13850  1.0 1.0
   34    33    41    42  -1.34450 -1.0 2.0
   34    33    41    42   0.57400  1.0 3.0
   38    33    41    42   0.01700  1.0 1.0
   38    33    41    42  -0.23550 -1.0 2.0
   38    33    41    42   0.21350  1.0 3.0
   41    33    38    39  -0.05900  1.0 1.0
   41    33    38    39   0.08350 -1.0 2.0
   41    33    38    39   0.12500  1.0 3.0
   41    33    38    40  -0.05900  1.0 1.0
   41    33    38    40   0.08350 -1.0 2.0
   41    33    38    40   0.12500  1.0 3.0
   41    42    45    46   0.15000  1.0 3.0
   41    42    45    47   0.44750  1.0 1.0
   41    42    45    47  -0.17800 -1.0 2.0
   41    42    45    47   0.20200  1.0 3.0
   41    42    45    50   0.56750  1.0 1.0
   41    42    45    50  -0.07550 -1.0 2.0
   41    42    45    50   0.20000  1.0 3.0
   42    45    47    48   0.15000  1.0 3.0
   42    45    47    49   0.15000  1.0 3.0
   42    45    47    51   0.44750  1.0 1.0
   42    45    47    51  -0.17800 -1.0 2.0
   42    45    47    51   0.20200  1.0 3.0
   42    45    50    52   0.23450  1.0 1.0
   42    45    50    52   0.02050 -1.0 2.0
   42    45    50    52   0.25250  1.0 3.0
   42    45    50    56   0.23450  1.0 1.0
   42    45    50    56   0.02050 -1.0 2.0
   42    45    50    56   0.25250  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    50   0.15000  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    50   0.15000  1.0 3.0
   45    47    51    60   0.00000  1.0 1.0
   45    50    52    53   0.28000  1.0 3.0
   45    50    52    54   0.28000  1.0 3.0
   45    50    52    55   0.28000  1.0 3.0
   45    50    56    57   0.28000  1.0 3.0
   45    50    56    58   0.28000  1.0 3.0
   45    50    56    59   0.28000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    51   0.15000  1.0 3.0
   46    45    50    52   0.28000  1.0 3.0
   46    45    50    56   0.28000  1.0 3.0
   47    45    50    52   0.23450  1.0 1.0
   47    45    50    52   0.02050 -1.0 2.0
   47    45    50    52   0.25250  1.0 3.0
   47    45    50    56   0.23450  1.0 1.0
   47    45    50    56   0.02050 -1.0 2.0
   47    45    50    56   0.25250  1.0 3.0
   47    51    60    61  -0.11550  1.0 1.0
   47    51    60    61   1.88700 -1.0 2.0
   47    51    60    62  -0.11550  1.0 1.0
   47    51    60    62   1.88700 -1.0 2.0
   48    47    51    60   0.24000  1.0 3.0
   49    47    51    60   0.24000  1.0 3.0
   51    60    62    63   2.56700 -1.0 2.0
   51    60    62    64   2.56700 -1.0 2.0
   61    60    62    63   2.45000 -1.0 2.0
   61    60    62    64   2.45000 -1.0 2.0
   50    45    47    48   0.15000  1.0 3.0
   50    45    47    49   0.15000  1.0 3.0
   50    45    47    51   0.56750  1.0 1.0
   50    45    47    51  -0.07550 -1.0 2.0
   50    45    47    51   0.20000  1.0 3.0
   52    50    56    57   0.28000  1.0 3.0
   52    50    56    58   0.28000  1.0 3.0
   52    50    56    59   0.28000  1.0 3.0
   56    50    52    53   0.28000  1.0 3.0
   56    50    52    54   0.28000  1.0 3.0
   56    50    52    55   0.28000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   51    62    60    61  10.50000 -1.0 2.0
   64    60    62    63   1.00000 -1.0 2.0
END
